CID 14622133

4,8-dioxatricyclo[4.2.1.0,3,7]nonan-5-one

Structural Information

Molecular Formula
C7H8O3
SMILES
C1C2CC3C(C1C(=O)O3)O2
InChI
InChI=1S/C7H8O3/c8-7-4-1-3-2-5(10-7)6(4)9-3/h3-6H,1-2H2
InChIKey
OMRNRHKURDNAJA-UHFFFAOYSA-N
Compound name
4,8-dioxatricyclo[4.2.1.03,7]nonan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1074
Patents

140.04735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.054626 124.3
[M+Na]+ 163.036568 133.3
[M-H]- 139.040074 129.1
[M+NH4]+ 158.081173 151.4
[M+K]+ 179.010508 134.3
[M+H-H2O]+ 123.044610 122.9
[M+HCOO]- 185.045551 144.3
[M+CH3COO]- 199.061201 139.6
[M+Na-2H]- 161.022016 130.0
[M]+ 140.04680142 127.0
[M]- 140.04789858 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe